8APU
Crystal Structure of H. influenzae TrmD in complex with Compound 14
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-09-10 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 94.607, 94.607, 177.954 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.348 - 1.900 |
| Rwork | 0.174 |
| R-free | 0.19330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yvh |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.821 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.348 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.116 | 1.330 |
| Rmeas | 0.128 | 1.463 |
| Rpim | 0.052 | 0.601 |
| Number of reflections | 24197 | 1527 |
| <I/σ(I)> | 17.8 | |
| Completeness [%] | 99.1 | |
| Redundancy | 10.9 | 10.8 |
| CC(1/2) | 0.999 | 0.726 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 20% PEG3350 0.1 M HEPES, pH 7.5 0.1 M potassium citrate tribasic |
